(2S)-2-Amino-3-[4-(3,5-Diiodo-4-Sulfooxyphenoxy)-3-Iodophenyl]Propanoic Acid
[CAS# 79349-15-8]

Identification

• Name: (2S)-2-Amino-3-[4-(3,5-Diiodo-4-Sulfooxyphenoxy)-3-Iodophenyl]Propanoic Acid
• Synonyms: (2S)-2-Amino-3-[4-(3,5-Diiodo-4-Sulfooxy-Phenoxy)-3-Iodo-Phenyl]Propanoic Acid; (2S)-2-Amino-3-[4-(3,5-Diiodo-4-Sulfoxy-Phenoxy)-3-Iodo-Phenyl]Propionic Acid; L-Tyrosine, O-(3,5-Diiodo-4-(Sulfooxy)Phenyl)-3-Iodo-
• Molecular Formula: C₁₅H₁₂I₃NO₇S
• Molecular Weight: 731.04
• CAS Registry Number: 79349-15-8
• SMILES: [C@H](C(=O)O)(N)CC2=CC(=C(OC1=CC(=C(C(=C1)I)O[S](=O)(=O)O)I)C=C2)I
• InChI: 1S/C15H12I3NO7S/c16-9-3-7(4-12(19)15(20)21)1-2-13(9)25-8-5-10(17)14(11(18)6-8)26-27(22,23)24/h1-3,5-6,12H,4,19H2,(H,20,21)(H,22,23,24)/t12-/m0/s1
• InChIKey: BWRJFXXHPZMDPS-LBPRGKRZSA-N

Properties

• Density: 2.435g/cm³ (Cal.)